(4-bromophenyl)methyl 3-(1,3-benzothiazol-2-yl)propanoate

Systemtic Name: (4-bromophenyl)methyl 3-(1,3-benzothiazol-2-yl)propanoate Openeye Name: (4-bromophenyl)methyl 3-(1,3-benzothiazol-2-yl)propanoate CAS Name: 3-(1,3-benzothiazol-2-yl)propanoic acid (4-bromophenyl)methyl ester IUPAC Name: (4-bromophenyl)methyl 3-(1,3-benzothiazol-2-yl)propanoate Traditional Name: 3-(1,3-benzothiazol-2-yl)propionic acid (4-bromobenzyl) ester Formula: C17H14BrNO2S MolecularWeight: 376.26756

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(S2)CCC(=O)OCC3=CC=C(C=C3)Br

Isomeric SMILES

C1=CC=C2C(=C1)N=C(S2)CCC(=O)OCC3=CC=C(C=C3)Br

InChI

InChI=1S/C17H14BrNO2S/c18-13-7-5-12(6-8-13)11-21-17(20)10-9-16-19-14-3-1-2-4-15(14)22-16/h1-8H,9-11H2